Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester
TL;DR: Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester (CAS 98959-33-2) is a chemical compound with molecular formula C9H13Cl2NOS and molecular weight 253.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-ethyl N,N-bis[(E)-3-chloroprop-2-enyl]carbamothioate
Also Known As: SC 0058, R 251005, Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester, S-ethyl N,N-bis[(E)-3-chloroprop-2-enyl]carbamothioate, N,N-bis[(E)-3-chloroprop-2-enyl]-1-ethylsulfanyl-formamide
| Molecular Formula | C9H13Cl2NOS |
|---|---|
| Molecular Weight | 253.01 g/mol |
| LogP | 3.6665 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 253.00949 |
| Heavy Atoms | 14 |
| Complexity | 204.8575 |
Chemical Identifiers
| CAS Number | 98959-33-2 |
|---|---|
| SMILES | CCSC(=O)N(C/C=C/Cl)C/C=C/Cl |
Product Overview
Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester (CAS 98959-33-2), with molecular formula C9H13Cl2NOS and molecular weight 253.01 g/mol. IUPAC: S-ethyl N,N-bis[(E)-3-chloroprop-2-enyl]carbamothioate.
Chemical Property Profile of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester
Property Insights of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester
The XLogP value of 3.6665 indicates that Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester?
The CAS number of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester is 98959-33-2.
What is the molecular formula of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester?
The molecular formula of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester is C9H13Cl2NOS.
What is the molecular weight of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester?
The molecular weight of Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester is 253.01 g/mol.
Where can I buy Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester?
You can request a quote for Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, bis(3-chloroallyl)thio-, S-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.